Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMTTPYKYQMLPMEKVFRDPVHNYIHVQHKVILDLINSKEVQRLRRIKQLGTSSFTFHGAEHSRFTHSLGVYEISRRICDIFSRNFSKEKIGNGGWDDQERLVTLCAALLHDVGHGPYSHTFEHIF--HTNHEAITVEIITSPETEVYQILNRVEEGFPEKVASVIQKTYPNPQ------VVQMISSQIDADRMDYLLRDAYFTGTEYGTFDLTRILRVIRPYEGGIAFSMSGMHAVEDYIVSRYQMYVQVYFHPVSRGMEVILEHLLHRAHELYQEDASSFELHSQLLLPFLDGSFTLEEYLKLDDGVLGTYFTQWSESADPILNDLAKRFLNRKPLKSATFSGNRDSKLVQELTLLVEKVGYNPVYYTAVNSSYDLPYDFYRPEQGRHRTQIEILRNDGTLIELSQVSQLVAALAGQEQGDERFFFPKEMVDPSLRDHYDLFDETYQEFASHIRNGALIEIN
2HEK Chain:A ((1-245))-----------MIKEFSDPLYGFVRVG-EAGLRLIDSFPFQRLRYVKQLGLAYLVFPSAQHTRFEHSLGVYHITERICE--------------SLKVKEKELVKLAGLLHDLGHPPFSHTTEVLLPRERSHEDFTERVIK--ETEIYEILK--QDYSHEDIERLVRITLGKPEDEEEKLLSEIITGEFGSDRMDYLRRDAYFCGVSYGFFDYDRLISTLRVYENKVVVDESGLRALENFLISRYFMYVQVYFHKVVRILSIHLVEFLKKL--ISQED------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2HEK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1124 -56441 -50.21 -238.15
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : -50.21
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.344

(partial model without unconserved sides chains):
PDB file : Tito_2HEK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2HEK-query.scw
PDB file : Tito_Scwrl_2HEK.pdb: